Glycoside
...
GD139613

Name:
1-acetyl-10-(acetyloxy)-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]-3a,3b-dihydroxy-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:
C60H88O21

Smiles:
COC1CC(OC2CCC3(C)C(=CCC4(O)C3C(OC(C)=O)C(OC(=O)C=Cc3ccccc3)C3(C)C(C(C)=O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3O)C(C)O2)C(C)O1

Aglycone:
CC(=O)OC1C2C3(C)CCC(O)CC3=CCC2(O)C2(O)CCC(C(C)=O)C2(C)C1OC(=O)C=Cc1ccccc1

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: 21 RingCount: 9
HBD: 4 FractionCSP3: 0.78
AlogP: 4.63 Num_rotatable_bonds: 17
MolWt: 1145.34 Num_heavy_atoms: 81
TPSA: 261.35 NumAromaticRings: 1

Unique Aglycone
AD52056
Formula: C32H40O8

Smiles:
CC(=O)OC1C2C3(C)CCC(O)CC3=CCC2(O)C2(O)CCC(C(C)=O)C2(C)C1OC(=O)C=Cc1ccccc1
HBA: 8 RingCount: 5
HBD: 3 FractionCSP3: 0.59
AlogP: 3.52 Num_rotatable_bonds: 5
MolWt: 552.66 Num_heavy_atoms: 40
TPSA: 130.36 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