Glycoside
...
GD015295

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

Formula:
C42H60O13

Smiles:
CO[C@H]1C[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3CC[C@]4(C)C(=CC[C@]5(O)[C@H]4C[C@H](OC(=O)c4ccccc4)[C@]4(C)[C@](O)(C(C)=O)CC[C@]54O)C3)C[C@H]2OC)O[C@@H](C)[C@H]1O

Aglycone:
CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C

Sugarmoiety:
COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 7
HBD: 4 FractionCSP3: 0.76
AlogP: 3.77 Num_rotatable_bonds: 9
MolWt: 772.93 Num_heavy_atoms: 55
TPSA: 179.67 NumAromaticRings: 1

Unique Aglycone
AD11133
Formula: C28H36O7

Smiles:
CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C
HBA: 7 RingCount: 5
HBD: 4 FractionCSP3: 0.64
AlogP: 2.7 Num_rotatable_bonds: 3
MolWt: 484.59 Num_heavy_atoms: 35
TPSA: 124.29 NumAromaticRings: 1

Sugarmoiety
SD00177

COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1O