Glycoside
...
GD115677

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

Formula:
C63H94O22

Smiles:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(O)CC(OC5C(O)CC(OC6CCC7(C)C(=CCC8(O)C7CC(OC(=O)C=Cc7ccccc7)C7(C)C(O)(C(C)=O)CCC87O)C6)OC5C)OC4C)CC3OC)CC2OC)OC(C)C1O

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

Sugarmoiety:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(O)CC(OC5C(O)CC(O)OC5C)OC4C)CC3OC)CC2OC)OC(C)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 10
HBD: 6 FractionCSP3: 0.81
AlogP: 4.46 Num_rotatable_bonds: 17
MolWt: 1203.42 Num_heavy_atoms: 85
TPSA: 284.74 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
SD04677

COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(O)CC(OC5C(O)CC(O)OC5C)OC4C)CC3OC)CC2OC)OC(C)C1O