Glycoside
...
GD154863

Name:
1-acetyl-10-(acetyloxy)-7-{[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}-3a-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11-yl 3-methylbutanoate

Formula:
C49H78O17

Smiles:
COC1CC(OC2CCC3(C)C(=CCC4C3C(OC(C)=O)C(OC(=O)CC(C)C)C3(C)C(C(C)=O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1

Aglycone:
CC(=O)OC1C2C(CC=C3CC(O)CCC32C)C2(O)CCC(C(C)=O)C2(C)C1OC(=O)CC(C)C

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 3 FractionCSP3: 0.9
AlogP: 4.32 Num_rotatable_bonds: 14
MolWt: 939.15 Num_heavy_atoms: 66
TPSA: 213.43 NumAromaticRings: 0

Unique Aglycone
AD10330
Formula: C28H42O7

Smiles:
CC(=O)OC1C2C(CC=C3CC(O)CCC32C)C2(O)CCC(C(C)=O)C2(C)C1OC(=O)CC(C)C
HBA: 7 RingCount: 4
HBD: 2 FractionCSP3: 0.82
AlogP: 3.74 Num_rotatable_bonds: 5
MolWt: 490.64 Num_heavy_atoms: 35
TPSA: 110.13 NumAromaticRings: 0

Sugarmoiety
SD01107

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1