Glycoside
...
GD115462

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

Formula:
C51H82O23

Smiles:
CC(=O)C1C(OC(=O)CCC(C)COC2OC(CO)C(O)C(O)C2O)CC2C3CC=C4CC(OC5OC(CO)C(O)C(OC6OC(C)C(O)C(O)C6O)C5OC5OC(C)C(O)C(O)C5O)CCC4(C)C3CCC21C

Aglycone:
CC(=O)C1C(OC(=O)CCC(C)CO)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C

Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 8
HBD: 12 FractionCSP3: 0.92
AlogP: -2.2 Num_rotatable_bonds: 16
MolWt: 1063.19 Num_heavy_atoms: 74
TPSA: 359.97 NumAromaticRings: 0

Unique Aglycone
AD06861
Formula: C27H42O5

Smiles:
CC(=O)C1C(OC(=O)CCC(C)CO)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C
HBA: 5 RingCount: 4
HBD: 2 FractionCSP3: 0.85
AlogP: 4.45 Num_rotatable_bonds: 6
MolWt: 446.63 Num_heavy_atoms: 32
TPSA: 83.83 NumAromaticRings: 0

Sugarmoiety
SD02384

CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O