Glycoside
...
GD023069

Name:
1,3a,3b-trihydroxy-7-[(5-{[5-({3-hydroxy-4-methoxy-5-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl)oxy]-1-(1-hydroxyethyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11-yl 3-phenylprop-2-enoate

Formula:
C70H108O30

Smiles:
CO[C@H]1C[C@@H](O[C@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@H](C)O[C@H](O[C@@H]4[C@@H](C)O[C@@H](O[C@@H]5CC[C@]6(C)C(=CC[C@]7(O)[C@H]6C[C@H](OC(=O)C=Cc6ccccc6)[C@]6(C)[C@](O)([C@H](C)O)CC[C@]76O)C5)C[C@H]4OC)C[C@@H]3OC)[C@H](O)[C@H]2OC)O[C@@H](C)[C@H]1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC(O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3CC(OC)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C(C)O3)C(OC)C2O)C(C)O1

Other Identifiers

Properties
HBA: 30 RingCount: 11
HBD: 12 FractionCSP3: 0.84
AlogP: -0.35 Num_rotatable_bonds: 22
MolWt: 1429.6 Num_heavy_atoms: 100
TPSA: 416.74 NumAromaticRings: 1

Unique Aglycone
AD04115
Formula: C30H40O7

Smiles:
CC(O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C
HBA: 7 RingCount: 5
HBD: 5 FractionCSP3: 0.63
AlogP: 2.89 Num_rotatable_bonds: 4
MolWt: 512.64 Num_heavy_atoms: 37
TPSA: 127.45 NumAromaticRings: 1

Sugarmoiety
SD02505

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3CC(OC)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C(C)O3)C(OC)C2O)C(C)O1