Glycoside
...
GD009086

Name:
1-acetyl-7-[(5-{[5-({5-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl)oxy]-1,3a,3b-trihydroxy-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:
C58H86O20

Smiles:
CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(C)C(=CC[C@]4(O)[C@H]3C[C@H](OC(=O)C=Cc3ccccc3)[C@]3(C)[C@](O)(C(C)=O)CC[C@]43O)C2)O[C@@H](C)[C@@H]1O[C@H]1C[C@@H](OC)[C@@H](O[C@@H]2C[C@@H](OC)[C@H](O[C@H]3O[C@@H](C)[C@@H](O)[C@@H](OC)[C@@H]3O)[C@H](C)O2)[C@H](C)O1

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(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3O)C(C)O2)C(C)O1

Other Identifiers

Properties
HBA: 20 RingCount: 9
HBD: 5 FractionCSP3: 0.79
AlogP: 4.21 Num_rotatable_bonds: 16
MolWt: 1103.31 Num_heavy_atoms: 78
TPSA: 255.28 NumAromaticRings: 1

Unique Aglycone
AD00401
Formula: C30H38O7

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: 4 FractionCSP3: 0.6
AlogP: 3.1 Num_rotatable_bonds: 4
MolWt: 510.63 Num_heavy_atoms: 37
TPSA: 124.29 NumAromaticRings: 1

Sugarmoiety
SD00850

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3O)C(C)O2)C(C)O1